| |
This classic text, which has run into its fourth edition, emphasises on concepts, and presents simplified mathematical treatment. It includes 109 problems. Among others, there are sections on projection operator,. density matrix, tunnelling and its applications, Hartree Fock treatment of atoms, restricted and unrestricted hartree Fock theories, and electron eorrelation. The book covers state of the art semi empirical and ab initio molecular orbital methods to explain current methods of performing electronic structure calculations. It illustrates Born Oppenheimer approximation and John Teller effect with examples and carefully chosen problems. * Contents : 1. Introduction: Waves and Quanta 2. Operator Concept in Quantum Chemistry 3. Wave Mechanics of some simple systems with Constant Potential Energy 4. Wave Mechanics of Simple Systems where the Potential Energy is not Constant. 5. Approximation Methods and Interaction of Radiation and Matter 6. Many Electron Atoms and Angular Moment 7. Mole cular orbital and Valence Bond Theories for Diatomic Molecules 8. Chemical Bonding in Polytomic Molecules 9. Semi empirical and Ab Initio SCF Theories 10. hellmann Feynaman Theorem and its Chemical Applications ISBN :97800704620540
|
| |
|